AE-848/37236062
TL;DR: AE-848/37236062 (CAS 312940-52-6) is a chemical compound with molecular formula C25H30N2O6S2 and molecular weight 518.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: AE-848/37236062, 2,2'-((3,3-dimethylpentanedioyl)bis(azanediyl))bis(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid), 2-[[5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-({5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2,2'-[(3,3-dimethyl-1,5-dioxopentane-1,5-diyl)diimino]bis(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid)
| Molecular Formula | C25H30N2O6S2 |
|---|---|
| Molecular Weight | 518.15 g/mol |
| LogP | 5.3472 |
| Topological Polar Surface Area | 132.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.15454 |
| Heavy Atoms | 35 |
| Complexity | 1102.9323 |
Chemical Identifiers
| CAS Number | 312940-52-6 |
|---|---|
| SMILES | CC(C)(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)O |
Product Overview
AE-848/37236062 (CAS 312940-52-6), with molecular formula C25H30N2O6S2 and molecular weight 518.15 g/mol. IUPAC: 2-[[5-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of AE-848/37236062
Property Insights of AE-848/37236062
The XLogP value of 5.3472 indicates that AE-848/37236062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/37236062. Following Lipinski's Rule of Five, AE-848/37236062 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/37236062?
The CAS number of AE-848/37236062 is 312940-52-6.
What is the molecular formula of AE-848/37236062?
The molecular formula of AE-848/37236062 is C25H30N2O6S2.
What is the molecular weight of AE-848/37236062?
The molecular weight of AE-848/37236062 is 518.15 g/mol.
Where can I buy AE-848/37236062?
You can request a quote for AE-848/37236062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/37236062?
Yes, KEHONG BIO provides custom synthesis services for AE-848/37236062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.